Information card for entry 1551065

Structure parameters

• Formula: C30 H34 Cl Fe N3
• Calculated formula: C30 H34 Cl Fe N3
• SMILES: [Fe]1(Cl)(n2c(c3c(C)cccc3C)ccc2C=[N]1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes
• Authors of publication: Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 8.9968 ± 0.0003 Å
• b: 18.444 ± 0.0008 Å
• c: 9.3737 ± 0.0004 Å
• α: 90°
• β: 117.856 ± 0.002°
• γ: 90°
• Cell volume: 1375.21 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No